SCHEMBL25319011

SCHEMBL25319011

CC(C)(CCCn1ccc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2c1=O)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 9/20 0.37
▸ HDAC3 O15379 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ JAK2 O60674 2/20 0.32
▸ BTK Q06187 2/20 0.32
▸ TIPARP Q7Z3E1 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ PSMB5 P28074 2/20 0.30
▸ PSMB2 P49721 2/20 0.30
▸ PSMB1 P20618 1/20 0.30
▸ DUT P33316 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30550660 0.90 TNF (0.38) TNFHDAC3HDAC1HDAC6TIPARP
SCHEMBL25320186 0.81 TNF (0.36) TNFHDAC3HDAC1HDAC6JAK2
SCHEMBL25318628 0.81 TNF (0.41) TNFHDAC3HDAC1HDAC6PSMB5
SCHEMBL30550681 0.77 PRMT5 (0.34) TNFHDAC3HDAC1HDAC6
SCHEMBL25898854 0.77 PRMT5 (0.34) TNFHDAC3HDAC1HDAC6
SCHEMBL25321355 0.75 TIPARP (0.32) TNFHDAC3HDAC1HDAC6TIPARP
SCHEMBL30550612 0.75 TIPARP (0.32) TNFHDAC3HDAC1HDAC6TIPARP
SCHEMBL25321350 0.75 TIPARP (0.32) TNFHDAC3HDAC1HDAC6TIPARP
SCHEMBL25898500 0.74 TIPARP (0.34) TNFHDAC3HDAC1HDAC6JAK2
SCHEMBL25321504 0.71 TNF (0.34) TNFHDAC3HDAC1HDAC6TIPARP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 TNF 4831/4885HDAC3 83/4885HDAC1 106/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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